MK-0873

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
MK-0873
Accession Number
DB13029
Type
Small Molecule
Groups
Investigational
Description

MK-0873 has been used in trials studying the treatment of Rheumatoid Arthritis.

Structure
Thumb
Synonyms
Not Available
External IDs
MK0873
Categories
UNII
K4KAC9XCCO
CAS number
500355-52-2
Weight
Average: 422.444
Monoisotopic: 422.137890456
Chemical Formula
C25H18N4O3
InChI Key
JJWKQXNHYDJXKF-UHFFFAOYSA-N
InChI
InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)
IUPAC Name
3-(2-{3-[3-(cyclopropylcarbamoyl)-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]phenyl}ethynyl)pyridin-1-ium-1-olate
SMILES
[O-][N+]1=CC(=CC=C1)C#CC1=CC(=CC=C1)N1C=C(C(=O)NC2CC2)C(=O)C2=CC=CN=C12

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
RiociguatMK-0873 may increase the hypotensive activities of Riociguat.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9919680
PubChem Substance
347829163
ChemSpider
8095319
BindingDB
50274267
ChEMBL
CHEMBL485629

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentPsoriasis Vulgaris (Plaque Psoriasis)1
1CompletedTreatmentPsoriasis / Psoriasis Vulgaris (Plaque Psoriasis)1
2CompletedTreatmentRheumatoid Arthritis1
2TerminatedTreatmentChronic Lung Diseases / Chronic Obstructive Pulmonary Disease (COPD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00503 mg/mLALOGPS
logP1.82ALOGPS
logP1.98ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14.29ChemAxon
pKa (Strongest Basic)1.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area89.24 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity115.36 m3·mol-1ChemAxon
Polarizability45.46 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Naphthyridines
Direct Parent
Naphthyridines
Alternative Parents
Pyridinecarboxylic acids and derivatives / Pyridinium derivatives / Benzene and substituted derivatives / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Organooxygen compounds / Organonitrogen compounds / Organic salts
show 3 more
Substituents
Naphthyridine / Pyridine carboxylic acid or derivatives / Monocyclic benzene moiety / Pyridine / Pyridinium / Benzenoid / Heteroaromatic compound / Vinylogous amide / Carboxamide group / Secondary carboxylic acid amide
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:11 / Updated on June 04, 2019 07:46